Geometry & MOs

Info

ID:	43147
PubChem CID:	10318919
Reduced:	SN2F3O3C18H21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	402.089895
ΔH_f, kcal/mol:	-247.58
Dipole, Da:	4.47
IP(EA), eV:	-9.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-6-ylamino)-6-[(6-hydroxynaphthalen-1-yl)amino]-1H-1,3,5-triazin-4-one

Drug info:

PubChemData

Smile

CC(C)CCC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations